LCZ 696 Impurity C

Base Information

• Chemical Name: LCZ 696 Impurity C
• CAS No.: 149709-63-7
• Molecular Formula: C24H29NO5
• Molecular Weight: 411.49
• Mol file: 149709-63-7.mol

Synonyms:LCZ 696 Impurity C;(2S,4S)-Sacubitril;4-(((2S,4S)-1-([1,1'-biphenyl]-4-yl)-5-ethoxy-4-methyl-5-oxopentan-2-yl)amino)-4-oxobutanoic acid

Chemical Property of LCZ 696 Impurity C

Chemical Property:

• Boiling Point: 656.9±55.0 °C(Predicted)
• PKA: 4.72±0.10(Predicted)
• PSA: 92.70000
• Density: 1.151±0.06 g/cm3(Predicted)
• LogP: 4.22590
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: Chloroform (Slightly), Methanol (Slightly)

Purity/Quality:

97% ^*data from raw suppliers

(2S,4S)-Sacubitril ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: (2S,4S)-Sacubitril is an impurity of Sacubitril (S080895) which is an antihypertensive drug used in combination with valsartan.

Technology Process of LCZ 696 Impurity C

There total 148 articles about LCZ 696 Impurity C which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.8%

calcium 3-{[(2S,4R)-1-{[1,1'-biphenyl]-4-yl}-5-ethoxy-4-methyl-5-oxopentan-2-yl]carbamoyl}propanoate → α-ethyl (αR,γS)-γ-<(3-carboxy-1-oxopropyl)amino>-α-methyl<1,1'-biphenyl>-4-pentanoate (149709-62-6,149709-63-7,766480-48-2)

Guidance literature:

With hydrogenchloride; In Isopropyl acetate; water; at 10 - 15 ℃; for 0.666667h;

Reference yield: 97.4%

(2R,4S)-5-([1,1'-biphenyl]-4-yl)-4-(2,5-dioxopyrrol-1-yl)-2-methyl pentanoate (1038924-97-8) → α-ethyl (αR,γS)-γ-<(3-carboxy-1-oxopropyl)amino>-α-methyl<1,1'-biphenyl>-4-pentanoate (149709-62-6,149709-63-7,766480-48-2)

Guidance literature:

With ethanol; sodium carbonate; at 60 ℃;

Reference yield: 96.57%

(2R,4S)-5-(biphenyl-4-yl)-4-[(3-carboxypropionyl)amino]-2-methylpentanoic acid ethyl ester tert-butylamine salt → α-ethyl (αR,γS)-γ-<(3-carboxy-1-oxopropyl)amino>-α-methyl<1,1'-biphenyl>-4-pentanoate (149709-62-6,149709-63-7,766480-48-2)

Guidance literature:

With hydrogenchloride; In dichloromethane; water;

upstream raw materials:

succinic acid anhydride

ethyl (γS)-γ-amino-α-methyl<1,1'-biphenyl>-4-pentanoate

(2R)-3-(biphenyl-4-yl)-2-[(tert-butoxycarbonyl)amino]propanoic acid

N-(tert-butoxycarbonyl)-D-tyrosine methyl ester

Downstream raw materials:

α-ethyl (αS,γS)-γ-<(3-carboxy-1-oxopropyl)amino>-α-methyl<1,1'-biphenyl>-4-pentanoate

α-ethyl (αR,γS)-γ-<(3-carboxy-1-oxopropyl)amino>-α-methyl<1,1'-biphenyl>-4-pentanoate monosodium salt